1-chloro-1-(2-phenylethyl)guanidine;hydrochloride

C9H13Cl2N3 — CID 141146073

IUPAC1-chloro-1-(2-phenylethyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(Cl)CCc1ccccc1
InChIInChI=1S/C9H12ClN3.ClH/c10-13(9(11)12)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,11,12);1H
InChIKeyBIEIWOBDPKNOEH-UHFFFAOYSA-N
MW234.13 g/mol
LogP2.00
Rot. Bonds3

About 1-chloro-1-(2-phenylethyl)guanidine;hydrochloride

1-chloro-1-(2-phenylethyl)guanidine;hydrochloride (PubChem CID 141146073) has the molecular formula C9H13Cl2N3 and a molecular weight of 234.13 g/mol. Its IUPAC name is 1-chloro-1-(2-phenylethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-chloro-1-(2-phenylethyl)guanidine;hydrochloride
PubChem CID141146073
Molecular FormulaC9H13Cl2N3
Molecular Weight234.13 g/mol
Exact Mass233.05
IUPAC Name1-chloro-1-(2-phenylethyl)guanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(Cl)CCc1ccccc1
InChIInChI=1S/C9H12ClN3.ClH/c10-13(9(11)12)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,11,12);1H
InChIKeyBIEIWOBDPKNOEH-UHFFFAOYSA-N
XLogP2.00
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-methyl-1-(3-phenylpropyl)guanidine;hydrochloride
CID 141469460
1-(2-phenylethyl)-1-pyrimidin-2-ylguanidine
CID 69179529
1,1-dibenzylguanidine
CID 9487
1-benzyl-1-phenylguanidine
CID 9460
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177
2-methyl-4-phenylbutanimidamide;hydrochloride
CID 175069791
N,2,2-trimethyl-N-(2-phenylethyl)propanimidamide
CID 65487169
N,N-diamino-2-phenylethanamine
CID 18409381
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 65486843
2-phenylethanimidamide
CID 27787
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
1-hydroxy-1-(2-phenylethyl)urea
CID 10241398

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(2-phenylethyl)guanidine;hydrochloride?
The IUPAC name of 1-chloro-1-(2-phenylethyl)guanidine;hydrochloride (CID 141146073) is 1-chloro-1-(2-phenylethyl)guanidine;hydrochloride.
What is the SMILES notation for 1-chloro-1-(2-phenylethyl)guanidine;hydrochloride?
The canonical SMILES for 1-chloro-1-(2-phenylethyl)guanidine;hydrochloride is Cl.[H]/N=C(\N)N(Cl)CCc1ccccc1.
What is the InChIKey of 1-chloro-1-(2-phenylethyl)guanidine;hydrochloride?
The InChIKey is BIEIWOBDPKNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3.ClH/c10-13(9(11)12)7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2,(H3,11,12);1H.
What are the key properties of 1-chloro-1-(2-phenylethyl)guanidine;hydrochloride?
1-chloro-1-(2-phenylethyl)guanidine;hydrochloride has a molecular weight of 234.13 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(2-phenylethyl)guanidine;hydrochloride is sourced from PubChem (CID 141146073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).